Geometry & MOs

Info

ID:	440982
PubChem CID:	135232575
Reduced:	ON3C10H11 (1)
Stoich.:	AB3C10D11 (1)
Weight, g/mol:	432.190989
ΔH_f, kcal/mol:	18.1
Dipole, Da:	2.59
IP(EA), eV:	-8.91(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-aminophenyl)-N-[6-(4-hydroxypiperidin-1-yl)-1-methylindazol-5-yl]-1,3-oxazole-4-carboxamide

Drug info:

PubChemData

Smile

CCC1=NC=C(C=C1)C2=COC(=N2)N

DOS

IR

Vibrations